Diphenyl(pentafluorophenyl)phosphine

The Diphenyl(pentafluorophenyl)phosphine, with CAS registry number 5525-95-1, belongs to the following product categories: (1)Ligand; (2)Phosphine Ligands; (3)Synthetic Organic Chemistry. It has the systematic name of (pentafluorophenyl)(diphenyl)phosphane. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₁₈H₁₀F₅P.

Physical properties of Diphenyl(pentafluorophenyl)phosphine: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 13.59 Å²; (7)Flash Point: 167.7 °C; (8)Enthalpy of Vaporization: 57.5 kJ/mol; (9)Boiling Point: 353.7 °C at 760 mmHg; (10)Vapour Pressure: 7.18E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by Diphenyl-cyan-phosphin and pentafluorophenyltrimethylsilane. This reaction will need reagent [18-crown-6-K]CN and solvent acetonitrile. The reaction time is 3 hour(s) with reaction temperature of -45 - 20 ℃. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
The Diphenyl(pentafluorophenyl)phosphine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3c(F)c(F)c(F)c(F)c3P(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: KUTXTUCJQJPJBH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(5)Std. InChIKey: KUTXTUCJQJPJBH-UHFFFAOYSA-N